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

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-[(4-phenylpiperazino)methyl]phenyl]acetic acid methyl ester Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)SC4=NC5=C(C=CC=C5N4)C(=O)N

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)SC4=NC5=C(C=CC=C5N4)C(=O)N

InChI

InChI=1S/C28H29N5O3S/c1-36-27(35)25(37-28-30-23-9-5-8-22(26(29)34)24(23)31-28)20-12-10-19(11-13-20)18-32-14-16-33(17-15-32)21-6-3-2-4-7-21/h2-13,25H,14-18H2,1H3,(H2,29,34)(H,30,31)