1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea

Systemtic Name: 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea Openeye Name: 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea CAS Name: 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea IUPAC Name: 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea Traditional Name: 1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiourea Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1CCC(=NCC1)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c18-13(15-11-7-3-1-4-8-11)17-16-12-9-5-2-6-10-14-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,16)(H2,15,17,18)