N-[1-(azepan-1-yl)propan-2-yl]-10H-phenothiazine-2-carbothioamide

Systemtic Name: N-[1-(azepan-1-yl)propan-2-yl]-10H-phenothiazine-2-carbothioamide Openeye Name: N-[2-(azepan-1-yl)-1-methyl-ethyl]-10H-phenothiazine-2-carbothioamide CAS Name: N-[1-(1-azepanyl)propan-2-yl]-10H-phenothiazine-2-carbothioamide IUPAC Name: N-[1-(azepan-1-yl)propan-2-yl]-10H-phenothiazine-2-carbothioamide Traditional Name: N-[2-(azepan-1-yl)-1-methyl-ethyl]-10H-phenothiazine-2-carbothioamide Formula: C22H27N3S2 MolecularWeight: 397.59988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCCC1)NC(=S)C2=CC3=C(C=C2)SC4=CC=CC=C4N3

Isomeric SMILES

CC(CN1CCCCCC1)NC(=S)C2=CC3=C(C=C2)SC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N3S2/c1-16(15-25-12-6-2-3-7-13-25)23-22(26)17-10-11-21-19(14-17)24-18-8-4-5-9-20(18)27-21/h4-5,8-11,14,16,24H,2-3,6-7,12-13,15H2,1H3,(H,23,26)