N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]quinolin-4-amine

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]quinolin-4-amine Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]quinolin-4-amine CAS Name: N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]phenyl]-4-quinolinamine IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]quinolin-4-amine Traditional Name: bis(2-chloroethyl)-[4-[[4-(4-quinolylamino)phenyl]thio]phenyl]amine Formula: C25H23Cl2N3S MolecularWeight: 468.44122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C25H23Cl2N3S/c26-14-17-30(18-15-27)20-7-11-22(12-8-20)31-21-9-5-19(6-10-21)29-25-13-16-28-24-4-2-1-3-23(24)25/h1-13,16H,14-15,17-18H2,(H,28,29)