1-[(E)-4-(phenylmethylsulfanyl)butan-2-ylideneamino]thiourea

Systemtic Name: 1-[(E)-4-(phenylmethylsulfanyl)butan-2-ylideneamino]thiourea Openeye Name: [(E)-(3-benzylsulfanyl-1-methyl-propylidene)amino]thiourea CAS Name: [(E)-4-(phenylmethylthio)butan-2-ylideneamino]thiourea IUPAC Name: [(E)-4-benzylsulfanylbutan-2-ylideneamino]thiourea Traditional Name: [(E)-[3-(benzylthio)-1-methyl-propylidene]amino]thiourea Formula: C12H17N3S2 MolecularWeight: 267.41348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CCSCC1=CC=CC=C1

Isomeric SMILES

C/C(=N\NC(=S)N)/CCSCC1=CC=CC=C1

InChI

InChI=1S/C12H17N3S2/c1-10(14-15-12(13)16)7-8-17-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H3,13,15,16)/b14-10+