N-[5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpentyl]acridin-9-amine

Systemtic Name: N-[5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpentyl]acridin-9-amine Openeye Name: N-[5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpentyl]acridin-9-amine CAS Name: N-[5-[[4-[bis(2-chloroethyl)amino]phenyl]thio]pentyl]-9-acridinamine IUPAC Name: N-[5-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpentyl]acridin-9-amine Traditional Name: [4-[5-(acridin-9-ylamino)pentylthio]phenyl]-bis(2-chloroethyl)amine Formula: C28H31Cl2N3S MolecularWeight: 512.53684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCSC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCSC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C28H31Cl2N3S/c29-16-19-33(20-17-30)22-12-14-23(15-13-22)34-21-7-1-6-18-31-28-24-8-2-4-10-26(24)32-27-11-5-3-9-25(27)28/h2-5,8-15H,1,6-7,16-21H2,(H,31,32)