(10-chloranyl-12-methyl-benzo[a]anthracen-7-yl)methyl carbamimidothioate

Systemtic Name: (10-chloranyl-12-methyl-benzo[a]anthracen-7-yl)methyl carbamimidothioate Openeye Name: 2-[(10-chloro-12-methyl-benzo[a]anthracen-7-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (10-chloro-12-methyl-7-benzo[a]anthracenyl)methyl ester IUPAC Name: (10-chloro-12-methylbenzo[a]anthracen-7-yl)methyl carbamimidothioate Traditional Name: 2-[(10-chloro-12-methyl-benz[a]anthracen-7-yl)methyl]isothiourea Formula: C21H17ClN2S MolecularWeight: 364.89108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=C(C3=C1C4=CC=CC=C4C=C3)CSC(=N)N)Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=C(C3=C1C4=CC=CC=C4C=C3)CSC(=N)N)Cl

InChI

InChI=1S/C21H17ClN2S/c1-12-18-10-14(22)7-9-16(18)19(11-25-21(23)24)17-8-6-13-4-2-3-5-15(13)20(12)17/h2-10H,11H2,1H3,(H3,23,24)