[4-(methylamino)-4-sulfanylidene-butyl] 4-methylbenzoate

Systemtic Name: [4-(methylamino)-4-sulfanylidene-butyl] 4-methylbenzoate Openeye Name: [4-(methylamino)-4-thioxo-butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-(methylamino)-4-sulfanylidenebutyl] ester IUPAC Name: [4-(methylamino)-4-sulfanylidenebutyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(methylamino)-4-thioxo-butyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCC(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCC(=S)NC

InChI

InChI=1S/C13H17NO2S/c1-10-5-7-11(8-6-10)13(15)16-9-3-4-12(17)14-2/h5-8H,3-4,9H2,1-2H3,(H,14,17)