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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)N

Isomeric SMILES

CC(CN1CCCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)N

InChI

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