3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-[2-(dimethylamino)-2-phenyl-ethyl]benzamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-[2-(dimethylamino)-2-phenyl-ethyl]benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[2-(dimethylamino)-2-phenyl-ethyl]benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-[2-(dimethylamino)-2-phenyl-ethyl]benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-32(2)22(18-9-4-3-5-10-18)16-30-27(35)19-11-8-12-20(15-19)33-17-23(34)25(26(33)29)28-31-21-13-6-7-14-24(21)36-28/h3-15,22H,16-17,29H2,1-2H3,(H,30,35)