1-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3-propyl-thiourea

Systemtic Name: 1-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3-propyl-thiourea Openeye Name: 1-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3-propyl-thiourea CAS Name: 1-[3-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]propyl]-3-propylthiourea IUPAC Name: 1-[3-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]propyl]-3-propylthiourea Traditional Name: 1-[3-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]propyl]-3-propyl-thiourea Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

Isomeric SMILES

CCCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

InChI

InChI=1S/C18H23N5OS/c1-3-7-21-18(25)22-9-4-8-20-17-14(12-19)10-13-11-15(24-2)5-6-16(13)23-17/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,23)(H2,21,22,25)/p+1