1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-phenyl-thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S/c21-16(19-20-17(24)18-13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)23-11-22-14/h1-6,8,10H,7,9,11H2,(H,19,21)(H2,18,20,24)