N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]carbonylamino]-4-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]carbonylamino]-4-methyl-thiophene-2-carboxamide Openeye Name: N-[(E)-(3-fluorophenyl)methyleneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4-methyl-thiophene-2-carboxamide CAS Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[[3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]-4-methyl-2-thiophenecarboxamide IUPAC Name: N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4-methylthiophene-2-carboxamide Traditional Name: N-[(E)-(3-fluorobenzylidene)amino]-3-[[3-[[4-(2-hydroxyethyl)piperazino]methyl]benzoyl]amino]-4-methyl-thiophene-2-carboxamide Formula: C27H30FN5O3S MolecularWeight: 523.622203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CCO)C(=O)NN=CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CSC(=C1NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)CCO)C(=O)N/N=C/C4=CC(=CC=C4)F

InChI

InChI=1S/C27H30FN5O3S/c1-19-18-37-25(27(36)31-29-16-20-4-3-7-23(28)15-20)24(19)30-26(35)22-6-2-5-21(14-22)17-33-10-8-32(9-11-33)12-13-34/h2-7,14-16,18,34H,8-13,17H2,1H3,(H,30,35)(H,31,36)/b29-16+