N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-methoxy-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-methoxy-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxy-phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-methoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxy-phenyl]benzothiophene-2-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-29-19-11-6-15(22(27)25-17-9-7-16(24)8-10-17)12-18(19)26-23(28)21-13-14-4-2-3-5-20(14)30-21/h2-6,11-13,16-17H,7-10,24H2,1H3,(H,25,27)(H,26,28)