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

Systemtic Name: methyl 3-[4-azanyl-5-[(4-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate Openeye Name: methyl 3-[4-amino-5-[(4-methoxyphenyl)methylcarbamoyl]-2-thioxo-thiazol-3-yl]-4-methyl-benzoate CAS Name: 3-[4-amino-5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-2-sulfanylidene-3-thiazolyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-[(4-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoate Traditional Name: 3-[4-amino-5-(p-anisylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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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)NCC3=CC=C(C=C3)OC)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NCC3=CC=C(C=C3)OC)N

InChI

InChI=1S/C21H21N3O4S2/c1-12-4-7-14(20(26)28-3)10-16(12)24-18(22)17(30-21(24)29)19(25)23-11-13-5-8-15(27-2)9-6-13/h4-10H,11,22H2,1-3H3,(H,23,25)