N-[(4-ethylpiperazin-1-yl)-[C-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)carbonimidoyl]phosphinothioyl]-N-methyl-methanamine

Systemtic Name: N-[(4-ethylpiperazin-1-yl)-[C-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)carbonimidoyl]phosphinothioyl]-N-methyl-methanamine Openeye Name: N-[(4-ethylpiperazin-1-yl)-[C-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)carbonimidoyl]phosphinothioyl]-N-methyl-methanamine CAS Name: N-[(4-ethyl-1-piperazinyl)-[(4-ethyl-1-piperazinyl)-(4-iodophenyl)iminomethyl]phosphinothioyl]-N-methylmethanamine IUPAC Name: N-[(4-ethylpiperazin-1-yl)-[C-(4-ethylpiperazin-1-yl)-N-(4-iodophenyl)carbonimidoyl]phosphinothioyl]-N-methylmethanamine Traditional Name: [(4-ethylpiperazino)-[C-(4-ethylpiperazino)-N-(4-iodophenyl)carbonimidoyl]thiophosphoryl]-dimethyl-amine Formula: C21H36IN6PS MolecularWeight: 562.493971

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=NC2=CC=C(C=C2)I)P(=S)(N3CCN(CC3)CC)N(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=NC2=CC=C(C=C2)I)P(=S)(N3CCN(CC3)CC)N(C)C

InChI

InChI=1S/C21H36IN6PS/c1-5-25-11-15-27(16-12-25)21(23-20-9-7-19(22)8-10-20)29(30,24(3)4)28-17-13-26(6-2)14-18-28/h7-10H,5-6,11-18H2,1-4H3