1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C23H22ClN5O2S2 MolecularWeight: 500.03608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C(=CN3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C(=CN3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H22ClN5O2S2/c24-17-6-4-16(5-7-17)21-15-26-22(20(21)14-25)28-23(32)27-18-8-10-19(11-9-18)33(30,31)29-12-2-1-3-13-29/h4-11,15,26H,1-3,12-13H2,(H2,27,28,32)