1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(1-mesylisonipecotoyl)amino]thiourea Formula: C18H28N4O5S2 MolecularWeight: 444.56872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C18H28N4O5S2/c1-26-15-5-4-13(12-16(15)27-2)6-9-19-18(28)21-20-17(23)14-7-10-22(11-8-14)29(3,24)25/h4-5,12,14H,6-11H2,1-3H3,(H,20,23)(H2,19,21,28)