N-[4-[(4-azanylcyclohexyl)carbamoyl]-3-chloranyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(4-azanylcyclohexyl)carbamoyl]-3-chloranyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chloro-phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-chlorophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chloro-phenyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-18-12-16(26-22(28)20-11-13-3-1-2-4-19(13)29-20)9-10-17(18)21(27)25-15-7-5-14(24)6-8-15/h1-4,9-12,14-15H,5-8,24H2,(H,25,27)(H,26,28)