[1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanethione

Systemtic Name: [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanethione Openeye Name: [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-[4-(2-pyridyl)piperazin-1-yl]methanethione CAS Name: [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-5-benzimidazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanethione IUPAC Name: [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanethione Traditional Name: [1-(cyclopropylmethyl)-2-(4-ethoxybenzyl)benzimidazol-5-yl]-[4-(2-pyridyl)piperazino]methanethione Formula: C30H33N5OS MolecularWeight: 511.68092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NC3=C(N2CC4CC4)C=CC(=C3)C(=S)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NC3=C(N2CC4CC4)C=CC(=C3)C(=S)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C30H33N5OS/c1-2-36-25-11-8-22(9-12-25)19-29-32-26-20-24(10-13-27(26)35(29)21-23-6-7-23)30(37)34-17-15-33(16-18-34)28-5-3-4-14-31-28/h3-5,8-14,20,23H,2,6-7,15-19,21H2,1H3