1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ylethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ylethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-[2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidinoethyl)thiourea Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-2-32-23-10-11-24-21(17-23)16-22(25(31)28-24)19-30(15-14-29-12-6-7-13-29)26(33)27-18-20-8-4-3-5-9-20/h3-5,8-11,16-17H,2,6-7,12-15,18-19H2,1H3,(H,27,33)(H,28,31)