N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-benzamido-4-methyl-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-benzamido-4-methyl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-benzamido-4-methyl-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-benzamido-4-methylbenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-benzamido-4-methylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-benzamido-4-methyl-benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S2/c1-12-8-9-15(10-16(12)24-18(27)14-6-4-3-5-7-14)19(28)25-21-23-13(2)20(30-21)29-11-17(22)26/h3-10H,11H2,1-2H3,(H2,22,26)(H,24,27)(H,23,25,28)