1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]thiourea Traditional Name: 1-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-piperonyl-thiourea Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H14ClN3O3S2/c19-15-11-3-1-2-4-14(11)27-16(15)17(23)21-22-18(26)20-8-10-5-6-12-13(7-10)25-9-24-12/h1-7H,8-9H2,(H,21,23)(H2,20,22,26)