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

Systemtic Name: 1-[1-(3-butoxyphenyl)ethyl]-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-[1-(3-butoxyphenyl)ethyl]-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[1-(3-butoxyphenyl)ethyl]-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-[1-(3-butoxyphenyl)ethyl]-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-[1-(3-butoxyphenyl)ethyl]-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C26H37N3O3S2 MolecularWeight: 503.72028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

InChI

InChI=1S/C26H37N3O3S2/c1-5-6-17-32-24-12-8-11-22(18-24)21(4)27-26(33)28-23-13-15-25(16-14-23)34(30,31)29-19(2)9-7-10-20(29)3/h8,11-16,18-21H,5-7,9-10,17H2,1-4H3,(H2,27,28,33)