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

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2-fluorophenyl)thiourea Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1F)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=S)NC1=CC=CC=C1F)/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18FN3O2S/c1-12(6-7-13-8-9-16-17(10-13)24-11-23-16)21-22-18(25)20-15-5-3-2-4-14(15)19/h2-5,8-10H,6-7,11H2,1H3,(H2,20,22,25)/b21-12+