4-[3-(3-azanylpropyl)-2-oxidanylidene-benzimidazol-1-yl]-N-[bis(4-methoxyphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-[3-(3-azanylpropyl)-2-oxidanylidene-benzimidazol-1-yl]-N-[bis(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-[3-(3-aminopropyl)-2-oxo-benzimidazol-1-yl]-N-[bis(4-methoxyphenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-[3-(3-aminopropyl)-2-oxo-1-benzimidazolyl]-N-[bis(4-methoxyphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-[3-(3-aminopropyl)-2-oxobenzimidazol-1-yl]-N-[bis(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-[3-(3-aminopropyl)-2-keto-benzimidazol-1-yl]-N-[bis(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCCN

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCCN

InChI

InChI=1S/C31H37N5O3S/c1-38-25-12-8-22(9-13-25)29(23-10-14-26(39-2)15-11-23)33-30(40)34-20-16-24(17-21-34)36-28-7-4-3-6-27(28)35(31(36)37)19-5-18-32/h3-4,6-15,24,29H,5,16-21,32H2,1-2H3,(H,33,40)