N-[2,5-diethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(benzylcarbamothioylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[2,5-diethoxy-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(benzylcarbamothioylamino)-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-(benzylthiocarbamoylamino)-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S2/c1-3-28-19-14-18(26-23(30)24-15-16-9-6-5-7-10-16)20(29-4-2)13-17(19)25-22(27)21-11-8-12-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,27)(H2,24,26,30)