1-(2-dimethylaminoethyl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-(4-methyl-3-piperidinosulfonyl-phenyl)thiourea Formula: C17H28N4O2S2 MolecularWeight: 384.55982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCN(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCN(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H28N4O2S2/c1-14-7-8-15(19-17(24)18-9-12-20(2)3)13-16(14)25(22,23)21-10-5-4-6-11-21/h7-8,13H,4-6,9-12H2,1-3H3,(H2,18,19,24)