3-[(4-bromophenyl)amino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-[(4-bromophenyl)amino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(4-bromoanilino)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(4-bromoanilino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-bromoanilino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(4-bromoanilino)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C18H18BrN3OS/c19-12-5-7-13(8-6-12)21-10-9-17(23)22-18-15(11-20)14-3-1-2-4-16(14)24-18/h5-8,21H,1-4,9-10H2,(H,22,23)