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

Systemtic Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

Isomeric SMILES

COCCCNC(=S)NCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

InChI

InChI=1S/C18H23N5O2S/c1-24-9-3-6-21-18(26)22-8-7-20-17-14(12-19)10-13-11-15(25-2)4-5-16(13)23-17/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,23)(H2,21,22,26)/p+1