methyl N-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamate

Systemtic Name: methyl N-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamate Openeye Name: methyl N-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamate CAS Name: N-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamate Traditional Name: N-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)OC)OC

InChI

InChI=1S/C14H17N3O5S/c1-20-10-6-4-9(8-11(10)21-2)5-7-12(18)15-13(23)16-17-14(19)22-3/h4-8H,1-3H3,(H,17,19)(H2,15,16,18,23)/b7-5+