1-(3-chloranyl-2-methyl-phenyl)-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(2-thienylsulfonyl)nipecotoyl]amino]thiourea Formula: C18H21ClN4O3S3 MolecularWeight: 473.03234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21ClN4O3S3/c1-12-14(19)6-2-7-15(12)20-18(27)22-21-17(24)13-5-3-9-23(11-13)29(25,26)16-8-4-10-28-16/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,21,24)(H2,20,22,27)