N,N-dimethyl-3-(8-methyl-3-methylsulfanyl-benzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine

Systemtic Name: N,N-dimethyl-3-(8-methyl-3-methylsulfanyl-benzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: N,N-dimethyl-3-(8-methyl-3-methylsulfanyl-benzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine CAS Name: N,N-dimethyl-3-[8-methyl-3-(methylthio)-5-benzo[b][1]benzothiepinyl]-2-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(8-methyl-3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: dimethyl-[3-[8-methyl-3-(methylthio)benzo[b][1]benzothiepin-5-yl]prop-2-ynyl]amine Formula: C21H21NS2 MolecularWeight: 351.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(=C2)C#CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(=C2)C#CCN(C)C

InChI

InChI=1S/C21H21NS2/c1-15-7-9-20-17(12-15)13-16(6-5-11-22(2)3)19-14-18(23-4)8-10-21(19)24-20/h7-10,12-14H,11H2,1-4H3