N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]acridin-9-amine

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]acridin-9-amine Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]acridin-9-amine CAS Name: N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]phenyl]-9-acridinamine IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]acridin-9-amine Traditional Name: [4-[[4-(acridin-9-ylamino)phenyl]thio]phenyl]-bis(2-chloroethyl)amine Formula: C29H25Cl2N3S MolecularWeight: 518.4999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)SC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)SC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C29H25Cl2N3S/c30-17-19-34(20-18-31)22-11-15-24(16-12-22)35-23-13-9-21(10-14-23)32-29-25-5-1-3-7-27(25)33-28-8-4-2-6-26(28)29/h1-16H,17-20H2,(H,32,33)