4-methyl-5-[2-[[3-(2-methylpropanoylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-1,3-thiazole-2-thiolate

Systemtic Name: 4-methyl-5-[2-[[3-(2-methylpropanoylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-1,3-thiazole-2-thiolate Openeye Name: 4-methyl-5-[2-[[3-(2-methylpropanoylamino)phenyl]methylamino]-2-oxo-ethyl]thiazole-2-thiolate CAS Name: 4-methyl-5-[2-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-2-oxoethyl]-2-thiazolethiolate IUPAC Name: 4-methyl-5-[2-[[3-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazole-2-thiolate Traditional Name: 5-[2-[[3-(isobutyrylamino)benzyl]amino]-2-keto-ethyl]-4-methyl-thiazole-2-thiolate Formula: C17H20N3O2S2- MolecularWeight: 362.4896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)[S-])CC(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(SC(=N1)[S-])CC(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C

InChI

InChI=1S/C17H21N3O2S2/c1-10(2)16(22)20-13-6-4-5-12(7-13)9-18-15(21)8-14-11(3)19-17(23)24-14/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)(H,20,22)/p-1