1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[ethyl(isopropyl)amino]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea Traditional Name: 1-[4-[ethyl(isopropyl)amino]phenyl]-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(C)C

InChI

InChI=1S/C20H25N3O2S/c1-4-23(14(2)3)17-8-6-16(7-9-17)22-20(26)21-12-15-5-10-18-19(11-15)25-13-24-18/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,26)