2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C24H29N3O3S/c1-4-27(5-2)16-17-30-23(29)20-11-13-21(14-12-20)25-24(31)26-22(28)15-10-19-8-6-18(3)7-9-19/h6-15H,4-5,16-17H2,1-3H3,(H2,25,26,28,31)/b15-10+