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

Systemtic Name: 10-[1-(azepan-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carbothioamide Openeye Name: 10-[2-(azepan-1-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carbothioamide CAS Name: 10-[1-(1-azepanyl)propan-2-yl]-N-propyl-2-phenothiazinecarbothioamide IUPAC Name: 10-[1-(azepan-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide Traditional Name: 10-[2-(azepan-1-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carbothioamide Formula: C25H33N3S2 MolecularWeight: 439.67962

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CCCCCC4

Isomeric SMILES

CCCNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CCCCCC4

InChI

InChI=1S/C25H33N3S2/c1-3-14-26-25(29)20-12-13-24-22(17-20)28(21-10-6-7-11-23(21)30-24)19(2)18-27-15-8-4-5-9-16-27/h6-7,10-13,17,19H,3-5,8-9,14-16,18H2,1-2H3,(H,26,29)