4-azanyl-5-(3-bromophenyl)carbonyl-N-cyclohexyl-2-(propan-2-ylamino)thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(3-bromophenyl)carbonyl-N-cyclohexyl-2-(propan-2-ylamino)thiophene-3-carboxamide Openeye Name: 4-amino-5-(3-bromobenzoyl)-N-cyclohexyl-2-(isopropylamino)thiophene-3-carboxamide CAS Name: 4-amino-5-[(3-bromophenyl)-oxomethyl]-N-cyclohexyl-2-(propan-2-ylamino)-3-thiophenecarboxamide IUPAC Name: 4-amino-5-(3-bromobenzoyl)-N-cyclohexyl-2-(propan-2-ylamino)thiophene-3-carboxamide Traditional Name: 4-amino-5-(3-bromobenzoyl)-N-cyclohexyl-2-(isopropylamino)thiophene-3-carboxamide Formula: C21H26BrN3O2S MolecularWeight: 464.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC(=CC=C2)Br)N)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC(=CC=C2)Br)N)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H26BrN3O2S/c1-12(2)24-21-16(20(27)25-15-9-4-3-5-10-15)17(23)19(28-21)18(26)13-7-6-8-14(22)11-13/h6-8,11-12,15,24H,3-5,9-10,23H2,1-2H3,(H,25,27)