1-(1-adamantylmethyl)-3-(3-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C19H25ClN2S MolecularWeight: 348.9332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C19H25ClN2S/c1-12-2-3-16(7-17(12)20)22-18(23)21-11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3,(H2,21,22,23)