N-(3-chlorophenyl)-4,5-dimethyl-2-(4-piperidin-1-ylundecyl)-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4,5-dimethyl-2-(4-piperidin-1-ylundecyl)-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-4,5-dimethyl-2-[4-(1-piperidyl)undecyl]-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-chlorophenyl)-4,5-dimethyl-2-[4-(1-piperidinyl)undecyl]-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-chlorophenyl)-4,5-dimethyl-2-(4-piperidin-1-ylundecyl)-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-4,5-dimethyl-2-(4-piperidinoundecyl)-1,3-thiazinane-3-carbothioamide Formula: C29H48ClN3S2 MolecularWeight: 538.29452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC1N(C(C(CS1)C)C)C(=S)NC2=CC(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

CCCCCCCC(CCCC1N(C(C(CS1)C)C)C(=S)NC2=CC(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C29H48ClN3S2/c1-4-5-6-7-9-16-27(32-19-10-8-11-20-32)17-13-18-28-33(24(3)23(2)22-35-28)29(34)31-26-15-12-14-25(30)21-26/h12,14-15,21,23-24,27-28H,4-11,13,16-20,22H2,1-3H3,(H,31,34)