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

Systemtic Name: N-[bis(4-methoxyphenyl)methyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-[bis(4-methoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-[bis(4-methoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-[bis(4-methoxyphenyl)methyl]-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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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=C5NC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H30N4O3S/c1-34-22-11-7-19(8-12-22)26(20-9-13-23(35-2)14-10-20)30-28(36)31-17-15-21(16-18-31)32-25-6-4-3-5-24(25)29-27(32)33/h3-14,21,26H,15-18H2,1-2H3,(H,29,33)(H,30,36)