methyl 3-[4-azanyl-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-azanyl-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate Openeye Name: methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-thioxo-thiazol-3-yl]-4-methyl-benzoate CAS Name: 3-[4-amino-5-[(cyclohexylamino)-oxomethyl]-2-sulfanylidene-3-thiazolyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoate Traditional Name: 3-[4-amino-5-(cyclohexylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]-4-methyl-benzoic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NC3CCCCC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C19H23N3O3S2/c1-11-8-9-12(18(24)25-2)10-14(11)22-16(20)15(27-19(22)26)17(23)21-13-6-4-3-5-7-13/h8-10,13H,3-7,20H2,1-2H3,(H,21,23)