3-[(2S)-butan-2-yl]-1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 3-[(2S)-butan-2-yl]-1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-methylpropyl]thiourea CAS Name: 3-[(2S)-butan-2-yl]-1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-[(2S)-butan-2-yl]-1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-[(1S)-1-methylpropyl]thiourea Formula: C21H32N4O2S MolecularWeight: 404.56938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CCN(C)C)CC1=CC2=C(C=CC(=C2)OCC)NC1=O

Isomeric SMILES

CC[C@H](C)NC(=S)N(CCN(C)C)CC1=CC2=C(C=CC(=C2)OCC)NC1=O

InChI

InChI=1S/C21H32N4O2S/c1-6-15(3)22-21(28)25(11-10-24(4)5)14-17-12-16-13-18(27-7-2)8-9-19(16)23-20(17)26/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,22,28)(H,23,26)/t15-/m0/s1