N-[4-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-oxomethyl]-2-methylphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H35N3O2S/c1-17-15-20(8-13-23(17)29-26(31)24-3-2-14-32-24)25(30)28-22-11-6-19(7-12-22)16-18-4-9-21(27)10-5-18/h2-3,8,13-15,18-19,21-22H,4-7,9-12,16,27H2,1H3,(H,28,30)(H,29,31)