1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(2-thenyl)thiourea Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

COCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C21H25N3O3S2/c1-26-9-4-8-22-21(28)24(14-18-5-3-10-29-18)13-16-11-15-6-7-17(27-2)12-19(15)23-20(16)25/h3,5-7,10-12H,4,8-9,13-14H2,1-2H3,(H,22,28)(H,23,25)