N,N-dimethyl-3-(3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine

Systemtic Name: N,N-dimethyl-3-(3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: 3-(3-isopropylbenzo[b][1]benzothiepin-5-yl)-N,N-dimethyl-prop-2-yn-1-amine CAS Name: N,N-dimethyl-3-(3-propan-2-yl-5-benzo[b][1]benzothiepinyl)-2-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: 3-(3-isopropylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-dimethyl-amine Formula: C22H23NS MolecularWeight: 333.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#CCN(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#CCN(C)C

InChI

InChI=1S/C22H23NS/c1-16(2)17-11-12-22-20(15-17)18(9-7-13-23(3)4)14-19-8-5-6-10-21(19)24-22/h5-6,8,10-12,14-16H,13H2,1-4H3