(3S)-N-(furan-2-ylmethyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(furan-2-ylmethyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(2-furylmethyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: (3S)-N-(2-furanylmethyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(furan-2-ylmethyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(2-furfuryl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NCC4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCCN(C3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H22N4OS/c1-13-6-7-16-17(10-13)22-18(21-16)14-4-2-8-23(12-14)19(25)20-11-15-5-3-9-24-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1