1-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea CAS Name: 1-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea Formula: C16H26N5O2S2+ MolecularWeight: 384.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=C(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)NC(=S)N/N=C(/C)\C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N5O2S2/c1-12(2)18-16(24)20-19-13(3)14-4-6-15(7-5-14)25(22,23)21-10-8-17-9-11-21/h4-7,12,17H,8-11H2,1-3H3,(H2,18,20,24)/p+1/b19-13-