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

Systemtic Name: 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-p-phenetylacryloyl]amino]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-17-8-6-7-15(3)20(17)22-21(27)24-23-19(25)14-11-16-9-12-18(13-10-16)26-5-2/h6-14H,4-5H2,1-3H3,(H,23,25)(H2,22,24,27)/b14-11+