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

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]thiourea Openeye Name: 1-[3-(dimethylamino)propyl]-3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]thiourea CAS Name: 1-[3-(dimethylamino)propyl]-3-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-[3-(dimethylamino)propyl]-3-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]thiourea Formula: C18H31N5O3S2 MolecularWeight: 429.60044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NCCCN(C)C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NCCCN(C)C

InChI

InChI=1S/C18H31N5O3S2/c1-21(2)9-5-8-19-18(27)20-16-14-15(6-7-17(16)26-4)28(24,25)23-12-10-22(3)11-13-23/h6-7,14H,5,8-13H2,1-4H3,(H2,19,20,27)