N-[5-[5-[4-(2-azanylethanoyl)piperazin-1-yl]carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[5-[5-[4-(2-azanylethanoyl)piperazin-1-yl]carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide Openeye Name: N-[5-[5-[4-(2-aminoacetyl)piperazine-1-carbonyl]-4-methoxy-2-methyl-phenyl]sulfanylthiazol-2-yl]cyclopropanecarboxamide CAS Name: N-[5-[[5-[[4-(2-amino-1-oxoethyl)-1-piperazinyl]-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]cyclopropanecarboxamide IUPAC Name: N-[5-[5-[4-(2-aminoacetyl)piperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide Traditional Name: N-[5-[[5-(4-glycylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]thio]thiazol-2-yl]cyclopropanecarboxamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)CN)SC3=CN=C(S3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)CN)SC3=CN=C(S3)NC(=O)C4CC4

InChI

InChI=1S/C22H27N5O4S2/c1-13-9-16(31-2)15(21(30)27-7-5-26(6-8-27)18(28)11-23)10-17(13)32-19-12-24-22(33-19)25-20(29)14-3-4-14/h9-10,12,14H,3-8,11,23H2,1-2H3,(H,24,25,29)