1-butyl-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea; prop-2-enoic acid

Systemtic Name: 1-butyl-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea; prop-2-enoic acid Openeye Name: acrylic acid; 1-butyl-3-[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea CAS Name: 1-butyl-3-[3-(1-propan-2-yl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea; 2-propenoic acid IUPAC Name: 1-butyl-3-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea; prop-2-enoic acid Traditional Name: acrylic acid; 1-butyl-3-[3-(1-isopropyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Formula: C23H35N5O2S MolecularWeight: 445.6213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NC2=C(C=C1)NC=C2C3CCN(CC3)C(C)C.C=CC(=O)O

Isomeric SMILES

CCCCNC(=S)NC1=NC2=C(C=C1)NC=C2C3CCN(CC3)C(C)C.C=CC(=O)O

InChI

InChI=1S/C20H31N5S.C3H4O2/c1-4-5-10-21-20(26)24-18-7-6-17-19(23-18)16(13-22-17)15-8-11-25(12-9-15)14(2)3;1-2-3(4)5/h6-7,13-15,22H,4-5,8-12H2,1-3H3,(H2,21,23,24,26);2H,1H2,(H,4,5)