1-[5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[3-(2,2-dimethyl-1,3-thiazolidin-3-yl)-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[3-(2,2-dimethyl-1,3-thiazolidin-3-yl)-3-oxidanylidene-propyl]urea Openeye Name: 1-[5-[2-(cyanomethyl)thiazol-4-yl]-4-methyl-thiazol-2-yl]-3-[3-(2,2-dimethylthiazolidin-3-yl)-3-oxo-propyl]urea CAS Name: 1-[5-[2-(cyanomethyl)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-[3-(2,2-dimethyl-3-thiazolidinyl)-3-oxopropyl]urea IUPAC Name: 1-[5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[3-(2,2-dimethyl-1,3-thiazolidin-3-yl)-3-oxopropyl]urea Traditional Name: 1-[5-[2-(cyanomethyl)thiazol-4-yl]-4-methyl-thiazol-2-yl]-3-[3-(2,2-dimethylthiazolidin-3-yl)-3-keto-propyl]urea Formula: C18H22N6O2S3 MolecularWeight: 450.60128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC(=O)N2CCSC2(C)C)C3=CSC(=N3)CC#N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC(=O)N2CCSC2(C)C)C3=CSC(=N3)CC#N

InChI

InChI=1S/C18H22N6O2S3/c1-11-15(12-10-27-13(22-12)4-6-19)29-17(21-11)23-16(26)20-7-5-14(25)24-8-9-28-18(24,2)3/h10H,4-5,7-9H2,1-3H3,(H2,20,21,23,26)