4-azanyl-5-(3-bromophenyl)carbonyl-N-(2-methoxyethyl)-2-[(phenylmethyl)amino]thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(3-bromophenyl)carbonyl-N-(2-methoxyethyl)-2-[(phenylmethyl)amino]thiophene-3-carboxamide Openeye Name: 4-amino-2-(benzylamino)-5-(3-bromobenzoyl)-N-(2-methoxyethyl)thiophene-3-carboxamide CAS Name: 4-amino-5-[(3-bromophenyl)-oxomethyl]-N-(2-methoxyethyl)-2-[(phenylmethyl)amino]-3-thiophenecarboxamide IUPAC Name: 4-amino-2-(benzylamino)-5-(3-bromobenzoyl)-N-(2-methoxyethyl)thiophene-3-carboxamide Traditional Name: 4-amino-2-(benzylamino)-5-(3-bromobenzoyl)-N-(2-methoxyethyl)thiophene-3-carboxamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC(=C1N)C(=O)C2=CC(=CC=C2)Br)NCC3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)C1=C(SC(=C1N)C(=O)C2=CC(=CC=C2)Br)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrN3O3S/c1-29-11-10-25-21(28)17-18(24)20(19(27)15-8-5-9-16(23)12-15)30-22(17)26-13-14-6-3-2-4-7-14/h2-9,12,26H,10-11,13,24H2,1H3,(H,25,28)