N-[4-[[3-chloranyl-6-(cyanomethoxy)-6-methoxy-cyclohexa-2,4-dien-1-yl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-6-(cyanomethoxy)-6-methoxy-cyclohexa-2,4-dien-1-yl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-6-(cyanomethoxy)-6-methoxy-cyclohexa-2,4-dien-1-yl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[[3-chloro-6-(cyanomethoxy)-6-methoxy-1-cyclohexa-2,4-dienyl]amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-6-(cyanomethoxy)-6-methoxycyclohexa-2,4-dien-1-yl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-6-(cyanomethoxy)-6-methoxy-cyclohexa-2,4-dien-1-yl]thiocarbamoylamino]phenyl]acetamide Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2C=C(C=CC2(OC)OCC#N)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2C=C(C=CC2(OC)OCC#N)Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-12(24)21-14-3-5-15(6-4-14)22-17(27)23-16-11-13(19)7-8-18(16,25-2)26-10-9-20/h3-8,11,16H,10H2,1-2H3,(H,21,24)(H2,22,23,27)