[2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-4-methoxy-cyclohexa-1,3-dien-1-yl] carbamate

Systemtic Name: [2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-4-methoxy-cyclohexa-1,3-dien-1-yl] carbamate Openeye Name: [2-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-4-methoxy-cyclohexa-1,3-dien-1-yl] carbamate CAS Name: carbamic acid [2-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-methoxy-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [2-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-4-methoxycyclohexa-1,3-dien-1-yl] carbamate Traditional Name: carbamic acid [2-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-4-methoxy-cyclohexa-1,3-dien-1-yl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(CC1)OC(=O)N)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(CC1)OC(=O)N)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H20ClN3O5S/c1-23-9-4-5-13(26-16(19)22)11(6-9)20-17(27)21-12-7-10(18)14(24-2)8-15(12)25-3/h6-8H,4-5H2,1-3H3,(H2,19,22)(H2,20,21,27)