1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-(2,5-dimethoxyphenyl)methyleneamino]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-(2,5-dimethoxybenzylidene)amino]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=N/NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N4O4S2/c1-28-18-8-11-20(29-2)16(14-18)15-22-24-21(30)23-17-6-9-19(10-7-17)31(26,27)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,23,24,30)/b22-15+