4-(1-azanylethyl)-3-(phenylcarbamothioylamino)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

Systemtic Name: 4-(1-azanylethyl)-3-(phenylcarbamothioylamino)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Openeye Name: 4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide CAS Name: 4-(1-aminoethyl)-3-[[anilino(sulfanylidene)methyl]amino]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide IUPAC Name: 4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Traditional Name: 4-(1-aminoethyl)-3-(phenylthiocarbamoylamino)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)NC(=S)NC4=CC=CC=C4)N

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)NC(=S)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H22N6OS/c1-14(24)17-8-7-15(13-20(17)29-23(31)27-16-5-3-2-4-6-16)22(30)28-19-10-12-26-21-18(19)9-11-25-21/h2-14H,24H2,1H3,(H2,27,29,31)(H2,25,26,28,30)