N-[(3-chlorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Openeye Name: N-[(3-chlorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide CAS Name: N-[(3-chlorophenyl)methyl]-10-[1-(1-pyrrolidinyl)propyl]-2-phenothiazinecarbothioamide IUPAC Name: N-[(3-chlorophenyl)methyl]-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Traditional Name: N-(3-chlorobenzyl)-10-(1-pyrrolidinopropyl)phenothiazine-2-carbothioamide Formula: C27H28ClN3S2 MolecularWeight: 494.11432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

CCC(N1CCCC1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=S)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H28ClN3S2/c1-2-26(30-14-5-6-15-30)31-22-10-3-4-11-24(22)33-25-13-12-20(17-23(25)31)27(32)29-18-19-8-7-9-21(28)16-19/h3-4,7-13,16-17,26H,2,5-6,14-15,18H2,1H3,(H,29,32)