1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2,3-dimethylphenyl)thiourea Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NN=C(C)CCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N/N=C(\C)/CCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H23N3O2S/c1-13-5-4-6-17(15(13)3)21-20(26)23-22-14(2)7-8-16-9-10-18-19(11-16)25-12-24-18/h4-6,9-11H,7-8,12H2,1-3H3,(H2,21,23,26)/b22-14+