(E)-N-(3-phenothiazin-10-ylpropyl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine

Systemtic Name: (E)-N-(3-phenothiazin-10-ylpropyl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine Openeye Name: (E)-N-(3-phenothiazin-10-ylpropyl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine CAS Name: (E)-N-[3-(10-phenothiazinyl)propyl]-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-amine IUPAC Name: (E)-N-(3-phenothiazin-10-ylpropyl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-amine Traditional Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]-(3-phenothiazin-10-ylpropyl)amine Formula: C28H36N2S MolecularWeight: 432.66384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(C)NCCCN2C3=CC=CC=C3SC4=CC=CC=C42)(C)C

Isomeric SMILES

CC1=CCCC(C1/C=C/C(C)NCCCN2C3=CC=CC=C3SC4=CC=CC=C42)(C)C

InChI

InChI=1S/C28H36N2S/c1-21-11-9-18-28(3,4)23(21)17-16-22(2)29-19-10-20-30-24-12-5-7-14-26(24)31-27-15-8-6-13-25(27)30/h5-8,11-17,22-23,29H,9-10,18-20H2,1-4H3/b17-16+