N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-3-phenyl-1,2-thiazole-5-carboxamide

Systemtic Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-3-phenyl-1,2-thiazole-5-carboxamide Openeye Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-phenyl-isothiazole-5-carboxamide CAS Name: N-[4-methyl-3-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]phenyl]-3-phenyl-5-isothiazolecarboxamide IUPAC Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-phenyl-1,2-thiazole-5-carboxamide Traditional Name: N-[4-methyl-3-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]phenyl]-3-phenyl-isothiazole-5-carboxamide Formula: C30H31N5O2S MolecularWeight: 525.66444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NS2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NS2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

InChI

InChI=1S/C30H31N5O2S/c1-21-11-12-25(31-30(37)28-19-27(33-38-28)23-8-4-3-5-9-23)18-26(21)32-29(36)24-10-6-7-22(17-24)20-35-15-13-34(2)14-16-35/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,37)(H,32,36)