1-(2-diethylaminoethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-diethylaminoethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-(2-diethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(2-diethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-(2-diethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-(2-diethylaminoethyl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O2S/c1-4-28(5-2)13-14-29(25(32)26-17-19-9-7-6-8-10-19)18-21-15-20-11-12-22(31-3)16-23(20)27-24(21)30/h6-12,15-16H,4-5,13-14,17-18H2,1-3H3,(H,26,32)(H,27,30)