1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenyl-thiourea

Systemtic Name: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenyl-thiourea Openeye Name: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenyl-thiourea CAS Name: 1-[[[anilino(sulfanylidene)methyl]amino]-[bis(2-chloroethyl)amino]phosphoryl]-3-phenylthiourea IUPAC Name: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenylthiourea Traditional Name: 1-[bis(2-chloroethyl)amino-(phenylthiocarbamoylamino)phosphoryl]-3-phenyl-thiourea Formula: C18H22Cl2N5OPS2 MolecularWeight: 490.409941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NP(=O)(NC(=S)NC2=CC=CC=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NP(=O)(NC(=S)NC2=CC=CC=C2)N(CCCl)CCCl

InChI

InChI=1S/C18H22Cl2N5OPS2/c19-11-13-25(14-12-20)27(26,23-17(28)21-15-7-3-1-4-8-15)24-18(29)22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,21,22,23,24,26,28,29)