N-[4-[(4-azanylcyclohexyl)carbamoyl]-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(4-azanylcyclohexyl)carbamoyl]-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-14-12-16(22(27)25-18-9-7-17(24)8-10-18)6-11-19(14)26-23(28)21-13-15-4-2-3-5-20(15)29-21/h2-6,11-13,17-18H,7-10,24H2,1H3,(H,25,27)(H,26,28)