N-[3-[3-[(4-bromophenyl)carbonylamino]propanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-[(4-bromophenyl)carbonylamino]propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-[(4-bromobenzoyl)amino]propanoylamino]phenyl]thiophene-2-carboxamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18BrN3O3S/c22-15-8-6-14(7-9-15)20(27)23-11-10-19(26)24-16-3-1-4-17(13-16)25-21(28)18-5-2-12-29-18/h1-9,12-13H,10-11H2,(H,23,27)(H,24,26)(H,25,28)