1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-2-methyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-2-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17ClN4O2S2/c1-10-12(18)3-2-4-13(10)20-17(26)22-21-16(25)19-8-11-5-6-14-15(7-11)24-9-23-14/h2-7H,8-9H2,1H3,(H2,19,21,25)(H2,20,22,26)