1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-[1-(3-propoxyphenyl)ethyl]thiourea Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

InChI

InChI=1S/C25H35N3O3S2/c1-5-16-31-23-11-7-10-21(17-23)20(4)26-25(32)27-22-12-14-24(15-13-22)33(29,30)28-18(2)8-6-9-19(28)3/h7,10-15,17-20H,5-6,8-9,16H2,1-4H3,(H2,26,27,32)