1-[3-(1-pentan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propyl-thiourea

Systemtic Name: 1-[3-(1-pentan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propyl-thiourea Openeye Name: 1-[3-[1-(1-methylbutyl)-3,4-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propyl-thiourea CAS Name: 1-[3-(1-pentan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propylthiourea IUPAC Name: 1-[3-(1-pentan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propylthiourea Traditional Name: 1-[3-[1-(1-methylbutyl)-3,4-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-propyl-thiourea Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCC(C=C1)C2=CNC3=C2N=C(C=C3)NC(=S)NCCC

Isomeric SMILES

CCCC(C)N1CCC(C=C1)C2=CNC3=C2N=C(C=C3)NC(=S)NCCC

InChI

InChI=1S/C21H31N5S/c1-4-6-15(3)26-12-9-16(10-13-26)17-14-23-18-7-8-19(24-20(17)18)25-21(27)22-11-5-2/h7-9,12,14-16,23H,4-6,10-11,13H2,1-3H3,(H2,22,24,25,27)