N4,N8-bis[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]benzo[e][1]benzothiole-4,8-dicarboxamide

Systemtic Name: N4,N8-bis[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]benzo[e][1]benzothiole-4,8-dicarboxamide Openeye Name: N4,N8-bis[3-(2-dimethylaminoethylamino)-3-oxo-propyl]benzo[e]benzothiophene-4,8-dicarboxamide CAS Name: N4,N8-bis[3-(2-dimethylaminoethylamino)-3-oxopropyl]benzo[e][1]benzothiole-4,8-dicarboxamide IUPAC Name: 4-N,8-N-bis[3-(2-dimethylaminoethylamino)-3-oxopropyl]benzo[e][1]benzothiole-4,8-dicarboxamide Traditional Name: N,N'-bis[3-(2-dimethylaminoethylamino)-3-keto-propyl]benzo[e]benzothiophene-4,8-dicarboxamide Formula: C28H38N6O4S MolecularWeight: 554.70412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CCNC(=O)C1=CC2=C3C=CSC3=C(C=C2C=C1)C(=O)NCCC(=O)NCCN(C)C

Isomeric SMILES

CN(C)CCNC(=O)CCNC(=O)C1=CC2=C3C=CSC3=C(C=C2C=C1)C(=O)NCCC(=O)NCCN(C)C

InChI

InChI=1S/C28H38N6O4S/c1-33(2)14-12-29-24(35)7-10-31-27(37)20-6-5-19-17-23(26-21(9-16-39-26)22(19)18-20)28(38)32-11-8-25(36)30-13-15-34(3)4/h5-6,9,16-18H,7-8,10-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)