1-[(E)-[3-chloranyl-4-(5,5-dimethyl-3-methylidene-hexyl)phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-chloranyl-4-(5,5-dimethyl-3-methylidene-hexyl)phenyl]methylideneamino]thiourea Openeye Name: [(E)-[3-chloro-4-(5,5-dimethyl-3-methylene-hexyl)phenyl]methyleneamino]thiourea CAS Name: [(E)-[3-chloro-4-(5,5-dimethyl-3-methylenehexyl)phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-chloro-4-(5,5-dimethyl-3-methylidenehexyl)phenyl]methylideneamino]thiourea Traditional Name: [(E)-[3-chloro-4-(3-neopentylbut-3-enyl)benzylidene]amino]thiourea Formula: C17H24ClN3S MolecularWeight: 337.91056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=C)CCC1=C(C=C(C=C1)C=NNC(=S)N)Cl

Isomeric SMILES

CC(C)(C)CC(=C)CCC1=C(C=C(C=C1)/C=N/NC(=S)N)Cl

InChI

InChI=1S/C17H24ClN3S/c1-12(10-17(2,3)4)5-7-14-8-6-13(9-15(14)18)11-20-21-16(19)22/h6,8-9,11H,1,5,7,10H2,2-4H3,(H3,19,21,22)/b20-11+