4-[1-[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]piperidin-4-yl]-N-prop-2-enyl-piperidine-1-carbothioamide

Systemtic Name: 4-[1-[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]piperidin-4-yl]-N-prop-2-enyl-piperidine-1-carbothioamide Openeye Name: N-allyl-4-[1-[3-phenyl-2-(p-tolylsulfonylamino)propanoyl]-4-piperidyl]piperidine-1-carbothioamide CAS Name: 4-[1-[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]-4-piperidinyl]-N-prop-2-enyl-1-piperidinecarbothioamide IUPAC Name: 4-[1-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidin-4-yl]-N-prop-2-enylpiperidine-1-carbothioamide Traditional Name: N-allyl-4-[1-[3-phenyl-2-(tosylamino)propanoyl]-4-piperidyl]piperidine-1-carbothioamide Formula: C30H40N4O3S2 MolecularWeight: 568.7936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4CCN(CC4)C(=S)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4CCN(CC4)C(=S)NCC=C

InChI

InChI=1S/C30H40N4O3S2/c1-3-17-31-30(38)34-20-15-26(16-21-34)25-13-18-33(19-14-25)29(35)28(22-24-7-5-4-6-8-24)32-39(36,37)27-11-9-23(2)10-12-27/h3-12,25-26,28,32H,1,13-22H2,2H3,(H,31,38)