1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C=CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H25N3O3S/c1-5-16-8-6-7-14(2)20(16)22-21(28)24-23-19(25)12-10-15-9-11-17(26-3)18(13-15)27-4/h6-13H,5H2,1-4H3,(H,23,25)(H2,22,24,28)/b12-10+