1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylazanylethanoylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylazanylethanoylamino)thiourea Openeye Name: 1-[(2-anilinoacetyl)amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[(2-anilino-1-oxoethyl)amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[(2-anilinoacetyl)amino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-[(2-anilinoacetyl)amino]-3-piperonyl-thiourea Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CNC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3S/c22-16(10-18-13-4-2-1-3-5-13)20-21-17(25)19-9-12-6-7-14-15(8-12)24-11-23-14/h1-8,18H,9-11H2,(H,20,22)(H2,19,21,25)