1-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(2-methylallyl)thiourea CAS Name: 1-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-(2-methylallyl)thiourea Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OC

Isomeric SMILES

CC(=C)CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OC

InChI

InChI=1S/C17H26N4O3S2/c1-13(2)12-18-17(25)19-15-11-14(5-6-16(15)24-4)26(22,23)21-9-7-20(3)8-10-21/h5-6,11H,1,7-10,12H2,2-4H3,(H2,18,19,25)