1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Traditional Name: 1-homoveratryl-3-[[(E)-3-(2-thienyl)acryloyl]amino]thiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C=CC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)/C=C/C2=CC=CS2)OC

InChI

InChI=1S/C18H21N3O3S2/c1-23-15-7-5-13(12-16(15)24-2)9-10-19-18(25)21-20-17(22)8-6-14-4-3-11-26-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H2,19,21,25)/b8-6+