N-cyclohexyl-2-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-cyclohexyl-2-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-cyclohexyl-2-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-cyclohexyl-2-[(E)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-cyclohexyl-2-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-cyclohexyl-2-[(E)-(3-nitro-4-pyrrolidino-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)/N=C/C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O3S/c31-25(28-19-8-2-1-3-9-19)24-20-10-4-5-11-23(20)34-26(24)27-17-18-12-13-21(22(16-18)30(32)33)29-14-6-7-15-29/h12-13,16-17,19H,1-11,14-15H2,(H,28,31)/b27-17+