1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea

Systemtic Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea Openeye Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea CAS Name: 1-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea IUPAC Name: 1-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea Traditional Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)thiourea Formula: C28H35Cl2N3O5P2S MolecularWeight: 658.513122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(NC(=S)NP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(NC(=S)NP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C28H35Cl2N3O5P2S/c1-2-3-19-27(39(34,36-24-13-7-4-8-14-24)37-25-15-9-5-10-16-25)31-28(41)32-40(35,33(22-20-29)23-21-30)38-26-17-11-6-12-18-26/h4-18,27H,2-3,19-23H2,1H3,(H2,31,32,35,41)