N-butyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide

Systemtic Name: N-butyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Openeye Name: N-butyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide CAS Name: N-butyl-10-[1-(1-pyrrolidinyl)propyl]-2-phenothiazinecarbothioamide IUPAC Name: N-butyl-10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carbothioamide Traditional Name: N-butyl-10-(1-pyrrolidinopropyl)phenothiazine-2-carbothioamide Formula: C24H31N3S2 MolecularWeight: 425.65304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4

Isomeric SMILES

CCCCNC(=S)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)N4CCCC4

InChI

InChI=1S/C24H31N3S2/c1-3-5-14-25-24(28)18-12-13-22-20(17-18)27(19-10-6-7-11-21(19)29-22)23(4-2)26-15-8-9-16-26/h6-7,10-13,17,23H,3-5,8-9,14-16H2,1-2H3,(H,25,28)