N-[4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(cinnamoylthiocarbamoylamino)phenyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17N3O2S2/c25-19(13-8-15-5-2-1-3-6-15)24-21(27)23-17-11-9-16(10-12-17)22-20(26)18-7-4-14-28-18/h1-14H,(H,22,26)(H2,23,24,25,27)