1-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-phenethyl-thiourea

Systemtic Name: 1-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-phenethyl-thiourea Openeye Name: 1-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenethylthiourea Traditional Name: 1-[2-(2-keto-7-methoxy-1H-quinolin-3-yl)ethyl]-3-phenethyl-thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-26-18-8-7-16-13-17(20(25)24-19(16)14-18)10-12-23-21(27)22-11-9-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,24,25)(H2,22,23,27)