4-(3-oxidanylidenethiochromeno[4,3-c]pyrazol-2-yl)-N-(1-pyrrolidin-1-ylbutyl)benzamide

Systemtic Name: 4-(3-oxidanylidenethiochromeno[4,3-c]pyrazol-2-yl)-N-(1-pyrrolidin-1-ylbutyl)benzamide Openeye Name: 4-(3-oxothiochromeno[4,3-c]pyrazol-2-yl)-N-(1-pyrrolidin-1-ylbutyl)benzamide CAS Name: 4-(3-oxo-2-thiochromeno[4,3-c]pyrazolyl)-N-[1-(1-pyrrolidinyl)butyl]benzamide IUPAC Name: 4-(3-oxothiochromeno[4,3-c]pyrazol-2-yl)-N-(1-pyrrolidin-1-ylbutyl)benzamide Traditional Name: 4-(3-ketothiochromeno[4,3-c]pyrazol-2-yl)-N-(1-pyrrolidinobutyl)benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=CC=C(C=C1)N2C(=O)C3=CSC4=CC=CC=C4C3=N2)N5CCCC5

Isomeric SMILES

CCCC(NC(=O)C1=CC=C(C=C1)N2C(=O)C3=CSC4=CC=CC=C4C3=N2)N5CCCC5

InChI

InChI=1S/C25H26N4O2S/c1-2-7-22(28-14-5-6-15-28)26-24(30)17-10-12-18(13-11-17)29-25(31)20-16-32-21-9-4-3-8-19(21)23(20)27-29/h3-4,8-13,16,22H,2,5-7,14-15H2,1H3,(H,26,30)