1-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[3-[4-(3-aminopropyl)-1-piperazinyl]propylamino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[3-[4-(3-aminopropyl)piperazino]propylamino]-3-(4-sulfamoylphenyl)thiourea Formula: C17H31N7O2S2 MolecularWeight: 429.60374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCNNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CCCN)CCCNNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H31N7O2S2/c18-7-1-9-23-11-13-24(14-12-23)10-2-8-20-22-17(27)21-15-3-5-16(6-4-15)28(19,25)26/h3-6,20H,1-2,7-14,18H2,(H2,19,25,26)(H2,21,22,27)