1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]thiourea Traditional Name: 1-[[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-piperonyl-thiourea Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C1

InChI

InChI=1S/C20H24N4O3S/c1-3-24(4-2)16-7-6-15(17(25)10-16)12-22-23-20(28)21-11-14-5-8-18-19(9-14)27-13-26-18/h5-10,12,22H,3-4,11,13H2,1-2H3,(H2,21,23,28)