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

Systemtic Name: N-[4-[(6-butoxy-3-chloranyl-6-methoxy-cyclohexa-1,3-dien-1-yl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(6-butoxy-3-chloro-6-methoxy-cyclohexa-1,3-dien-1-yl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[(6-butoxy-3-chloro-6-methoxy-1-cyclohexa-1,3-dienyl)amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(6-butoxy-3-chloro-6-methoxycyclohexa-1,3-dien-1-yl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(6-butoxy-3-chloro-6-methoxy-cyclohexa-1,3-dien-1-yl)thiocarbamoylamino]phenyl]acetamide Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CC=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl)OC

Isomeric SMILES

CCCCOC1(CC=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl)OC

InChI

InChI=1S/C20H26ClN3O3S/c1-4-5-12-27-20(26-3)11-10-15(21)13-18(20)24-19(28)23-17-8-6-16(7-9-17)22-14(2)25/h6-10,13H,4-5,11-12H2,1-3H3,(H,22,25)(H2,23,24,28)