1-butyl-3-[[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]sulfanyl]urea

Systemtic Name: 1-butyl-3-[[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]sulfanyl]urea Openeye Name: 1-butyl-3-[[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]sulfanyl]urea CAS Name: 1-butyl-3-[[3-(1-propan-2-yl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thio]urea IUPAC Name: 1-butyl-3-[[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]sulfanyl]urea Traditional Name: 1-butyl-3-[[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thio]urea Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NSC1=NC2=C(C=C1)NC=C2C3CCN(CC3)C(C)C

Isomeric SMILES

CCCCNC(=O)NSC1=NC2=C(C=C1)NC=C2C3CCN(CC3)C(C)C

InChI

InChI=1S/C20H31N5OS/c1-4-5-10-21-20(26)24-27-18-7-6-17-19(23-18)16(13-22-17)15-8-11-25(12-9-15)14(2)3/h6-7,13-15,22H,4-5,8-12H2,1-3H3,(H2,21,24,26)