N-(3-methylbutyl)-10-(1-piperidin-1-ylpropyl)phenothiazine-2-carbothioamide

Systemtic Name: N-(3-methylbutyl)-10-(1-piperidin-1-ylpropyl)phenothiazine-2-carbothioamide Openeye Name: N-isopentyl-10-[1-(1-piperidyl)propyl]phenothiazine-2-carbothioamide CAS Name: N-(3-methylbutyl)-10-[1-(1-piperidinyl)propyl]-2-phenothiazinecarbothioamide IUPAC Name: N-(3-methylbutyl)-10-(1-piperidin-1-ylpropyl)phenothiazine-2-carbothioamide Traditional Name: N-isoamyl-10-(1-piperidinopropyl)phenothiazine-2-carbothioamide Formula: C26H35N3S2 MolecularWeight: 453.7062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)C

Isomeric SMILES

CCC(N1CCCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCCC(C)C

InChI

InChI=1S/C26H35N3S2/c1-4-25(28-16-8-5-9-17-28)29-21-10-6-7-11-23(21)31-24-13-12-20(18-22(24)29)26(30)27-15-14-19(2)3/h6-7,10-13,18-19,25H,4-5,8-9,14-17H2,1-3H3,(H,27,30)