1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(2-oxidanylidene-1-propan-2-yl-indol-3-ylidene)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(2-oxidanylidene-1-propan-2-yl-indol-3-ylidene)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(1-isopropyl-2-oxo-indolin-3-ylidene)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(2-oxo-1-propan-2-yl-3-indolylidene)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(2-oxo-1-propan-2-ylindol-3-ylidene)amino]thiourea Traditional Name: 1-[(E)-(1-isopropyl-2-keto-indolin-3-ylidene)amino]-3-piperonyl-thiourea Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=NNC(=S)NCC3=CC4=C(C=C3)OCO4)C1=O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC4=C(C=C3)OCO4)/C1=O

InChI

InChI=1S/C20H20N4O3S/c1-12(2)24-15-6-4-3-5-14(15)18(19(24)25)22-23-20(28)21-10-13-7-8-16-17(9-13)27-11-26-16/h3-9,12H,10-11H2,1-2H3,(H2,21,23,28)/b22-18+