1-(1,3-benzodioxol-5-yl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(3-methylpiperidino)sulfonylphenyl]thiourea Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4S2/c1-14-3-2-10-23(12-14)29(24,25)17-7-4-15(5-8-17)21-20(28)22-16-6-9-18-19(11-16)27-13-26-18/h4-9,11,14H,2-3,10,12-13H2,1H3,(H2,21,22,28)