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

Systemtic Name: N4,N8-bis[3-(2-diethylaminoethylamino)-3-oxidanylidene-propyl]benzo[e][1]benzothiole-4,8-dicarboxamide Openeye Name: N4,N8-bis[3-(2-diethylaminoethylamino)-3-oxo-propyl]benzo[e]benzothiophene-4,8-dicarboxamide CAS Name: N4,N8-bis[3-(2-diethylaminoethylamino)-3-oxopropyl]benzo[e][1]benzothiole-4,8-dicarboxamide IUPAC Name: 4-N,8-N-bis[3-(2-diethylaminoethylamino)-3-oxopropyl]benzo[e][1]benzothiole-4,8-dicarboxamide Traditional Name: N,N'-bis[3-(2-diethylaminoethylamino)-3-keto-propyl]benzo[e]benzothiophene-4,8-dicarboxamide Formula: C32H46N6O4S MolecularWeight: 610.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46N6O4S/c1-5-37(6-2)18-16-33-28(39)11-14-35-31(41)24-10-9-23-21-27(30-25(13-20-43-30)26(23)22-24)32(42)36-15-12-29(40)34-17-19-38(7-3)8-4/h9-10,13,20-22H,5-8,11-12,14-19H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)