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

Systemtic Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-propyl-thiourea Openeye Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-propyl-thiourea CAS Name: 1-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-propylthiourea IUPAC Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-propylthiourea Traditional Name: 1-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-propyl-thiourea Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C16H26N4O3S2/c1-4-7-17-16(24)18-14-12-13(5-6-15(14)23-3)25(21,22)20-10-8-19(2)9-11-20/h5-6,12H,4,7-11H2,1-3H3,(H2,17,18,24)/p+1