N-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-N-(1,3-thiazol-4-yl)propanamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-N-(1,3-thiazol-4-yl)propanamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-thiazol-4-yl-propanamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-3-phenyl-N-(4-thiazolyl)propanamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-4-yl)propanamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-2-benzyl-3-(4-methylpiperazino)sulfonyl-N-thiazol-4-yl-propionamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N(C1=CSC=N1)C(=O)C(CC2=CC=CC=C2)CS(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C(=O)N)N(C1=CSC=N1)C(=O)C(CC2=CC=CC=C2)CS(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H29N5O4S2/c1-16(20(22)27)26(19-13-31-15-23-19)21(28)18(12-17-6-4-3-5-7-17)14-32(29,30)25-10-8-24(2)9-11-25/h3-7,13,15-16,18H,8-12,14H2,1-2H3,(H2,22,27)