1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]thiourea Traditional Name: 1-[(4-phenylcyclohexylidene)amino]-3-piperonyl-thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)CCC1C4=CC=CC=C4

Isomeric SMILES

C1CC(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)CCC1C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c27-21(22-13-15-6-11-19-20(12-15)26-14-25-19)24-23-18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-6,11-12,17H,7-10,13-14H2,(H2,22,24,27)