N-[3-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[(homoveratrylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C3CC3)OC

InChI

InChI=1S/C22H26N4O4S/c1-29-18-9-6-14(12-19(18)30-2)10-11-23-22(31)26-25-21(28)16-4-3-5-17(13-16)24-20(27)15-7-8-15/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,24,27)(H,25,28)(H2,23,26,31)