1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-piperonyl-thiourea Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC(C)C5=CC=CC=C5)C

InChI

InChI=1S/C29H29N3O3S/c1-18-11-23-14-24(28(33)31-25(23)12-19(18)2)16-32(15-21-9-10-26-27(13-21)35-17-34-26)29(36)30-20(3)22-7-5-4-6-8-22/h4-14,20H,15-17H2,1-3H3,(H,30,36)(H,31,33)