methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-[(4-methylpiperazino)methyl]phenyl]acetic acid methyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(C(=O)OC)SC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(C(=O)OC)SC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C23H27N5O3S/c1-27-10-12-28(13-11-27)14-15-6-8-16(9-7-15)20(22(30)31-2)32-23-25-18-5-3-4-17(21(24)29)19(18)26-23/h3-9,20H,10-14H2,1-2H3,(H2,24,29)(H,25,26)