[4-[bis(2-chloroethyl)amino]phenyl] N-(5-oxidanylidene-5-phenylazanyl-pentan-2-yl)carbamate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] N-(5-oxidanylidene-5-phenylazanyl-pentan-2-yl)carbamate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] N-(4-anilino-1-methyl-4-oxo-butyl)carbamate CAS Name: N-(5-anilino-5-oxopentan-2-yl)carbamic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] N-(5-anilino-5-oxopentan-2-yl)carbamate Traditional Name: N-(4-anilino-4-keto-1-methyl-butyl)carbamic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C22H27Cl2N3O3 MolecularWeight: 452.37408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CC(CCC(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C22H27Cl2N3O3/c1-17(7-12-21(28)26-18-5-3-2-4-6-18)25-22(29)30-20-10-8-19(9-11-20)27(15-13-23)16-14-24/h2-6,8-11,17H,7,12-16H2,1H3,(H,25,29)(H,26,28)