N',N'-diethyl-N-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine CAS Name: N',N'-diethyl-N-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine Traditional Name: diethyl-[2-[(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)amino]ethyl]amine Formula: C26H30N2S MolecularWeight: 402.5948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCNC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2S/c1-3-28(4-2)19-18-27-26(22-13-6-5-7-14-22)23-15-9-8-12-21(23)20-29-25-17-11-10-16-24(25)26/h5-17,27H,3-4,18-20H2,1-2H3