1-(1,3-benzodioxol-5-yl)-3-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-methyl-4-(p-tolyl)thiophene-3-carbonyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[[5-methyl-4-(4-methylphenyl)-3-thiophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-methyl-4-(4-methylphenyl)thiophene-3-carbonyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[5-methyl-4-(p-tolyl)thiophene-3-carbonyl]amino]thiourea Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2C(=O)NNC(=S)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2C(=O)NNC(=S)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O3S2/c1-12-3-5-14(6-4-12)19-13(2)29-10-16(19)20(25)23-24-21(28)22-15-7-8-17-18(9-15)27-11-26-17/h3-10H,11H2,1-2H3,(H,23,25)(H2,22,24,28)