ethyl 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-heptyl-amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[[4-(dimethylamino)anilino]-oxomethyl]-heptylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-heptylamino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[(4-dimethylaminophenyl)carbamoyl-heptyl-amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C32H41N3O3S MolecularWeight: 547.75124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C32H41N3O3S/c1-5-7-8-9-10-22-35(32(37)33-26-16-18-27(19-17-26)34(3)4)28-12-11-13-30(24-28)39-29-20-14-25(15-21-29)23-31(36)38-6-2/h11-21,24H,5-10,22-23H2,1-4H3,(H,33,37)