1-(2-cyanoethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-yl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-yl-thiourea Openeye Name: 1-(2-cyanoethyl)-1-isopropyl-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2-cyanoethyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propan-2-ylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1-propan-2-ylthiourea Traditional Name: 1-(2-cyanoethyl)-1-isopropyl-3-(4-piperidinosulfonylphenyl)thiourea Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC#N)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)N(CCC#N)C(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N4O2S2/c1-15(2)22(14-6-11-19)18(25)20-16-7-9-17(10-8-16)26(23,24)21-12-4-3-5-13-21/h7-10,15H,3-6,12-14H2,1-2H3,(H,20,25)