[4-[(phenylmethyl)amino]-4-sulfanylidene-butyl] 4-methylbenzoate

Systemtic Name: [4-[(phenylmethyl)amino]-4-sulfanylidene-butyl] 4-methylbenzoate Openeye Name: [4-(benzylamino)-4-thioxo-butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(phenylmethyl)amino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-(benzylamino)-4-sulfanylidenebutyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(benzylamino)-4-thioxo-butyl] ester Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO2S/c1-15-9-11-17(12-10-15)19(21)22-13-5-8-18(23)20-14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)