1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(3-oxidanylpropyl)thiourea

Systemtic Name: 1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(3-oxidanylpropyl)thiourea Openeye Name: 1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(3-hydroxypropyl)thiourea CAS Name: 1-[2,3-bis(1H-pyrrol-2-yl)-6-quinoxalinyl]-3-(3-hydroxypropyl)thiourea IUPAC Name: 1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(3-hydroxypropyl)thiourea Traditional Name: 1-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]-3-(3-hydroxypropyl)thiourea Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCO)N=C2C4=CC=CN4

Isomeric SMILES

C1=CNC(=C1)C2=NC3=C(C=C(C=C3)NC(=S)NCCCO)N=C2C4=CC=CN4

InChI

InChI=1S/C20H20N6OS/c27-11-3-10-23-20(28)24-13-6-7-14-17(12-13)26-19(16-5-2-9-22-16)18(25-14)15-4-1-8-21-15/h1-2,4-9,12,21-22,27H,3,10-11H2,(H2,23,24,28)