2-diethylaminoethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methoxyphenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H27N3O3S/c1-4-24(5-2)13-14-27-20(25)16-9-11-17(12-10-16)22-21(28)23-18-7-6-8-19(15-18)26-3/h6-12,15H,4-5,13-14H2,1-3H3,(H2,22,23,28)